5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide

C14H11BrN4O2 — CID 90867123

IUPAC5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide
SMILESO=NCC(=NNC(=O)c1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C14H11BrN4O2/c15-12-6-11(7-16-8-12)14(20)19-18-13(9-17-21)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)
InChIKeyHBKSCLIQGMDAOZ-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.74
Rot. Bonds5

About 5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide

5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide (PubChem CID 90867123) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is 5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide
PubChem CID90867123
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC Name5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide
SMILESO=NCC(=NNC(=O)c1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C14H11BrN4O2/c15-12-6-11(7-16-8-12)14(20)19-18-13(9-17-21)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)
InChIKeyHBKSCLIQGMDAOZ-UHFFFAOYSA-N
XLogP2.74
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239
4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91509207
N-[[1-(3-chlorophenyl)-2-nitrosoethylidene]amino]-5-methylpyridine-3-carboxamide
CID 91076214
3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91169409
4-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91089657
5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 4648878
3,4-dichloro-N-[[1-(3,4-dichlorophenyl)-2-nitrosoethylidene]amino]benzamide
CID 91446441
2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid
CID 805036
5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide
CID 789585
5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide
CID 99873716
(4E)-4-[(4-bromobenzoyl)hydrazinylidene]-4-phenylbutanoic acid
CID 6391991
N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
CID 5337549

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide (CID 90867123) is 5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide is O=NCC(=NNC(=O)c1cncc(Br)c1)c1ccccc1.
What is the InChIKey of 5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide?
The InChIKey is HBKSCLIQGMDAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c15-12-6-11(7-16-8-12)14(20)19-18-13(9-17-21)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20).
What are the key properties of 5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide?
5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide has a molecular weight of 347.17 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide is sourced from PubChem (CID 90867123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).